In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 20 | Yes |
Popular Name: 8-[(4-ethylpiperazin-1-yl)methyl]-4H-1,3-benzodioxin-6-amine 8-[(4-ethylpiperazin-1-yl)methyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.80 | 3.61 | -33.96 | 3 | 5 | 1 | 52 | 278.376 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 3.62 | -33.09 | 3 | 5 | 1 | 52 | 278.376 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 1.3 | -6.86 | 2 | 5 | 0 | 51 | 277.368 | 3 | ↓ |